7-chloro-4-ethyl-2-methyl-3H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide

C9H12ClN3O2S — CID 44589261

IUPAC7-chloro-4-ethyl-2-methyl-3H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCCN1CN(C)S(=O)(=O)c2cc(Cl)cnc21
InChIInChI=1S/C9H12ClN3O2S/c1-3-13-6-12(2)16(14,15)8-4-7(10)5-11-9(8)13/h4-5H,3,6H2,1-2H3
InChIKeyCIYBAMYNTCEQQC-UHFFFAOYSA-N
MW261.73 g/mol
LogP1.15
Rot. Bonds1

About 7-chloro-4-ethyl-2-methyl-3H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide

7-chloro-4-ethyl-2-methyl-3H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide (PubChem CID 44589261) has the molecular formula C9H12ClN3O2S and a molecular weight of 261.73 g/mol. Its IUPAC name is 7-chloro-4-ethyl-2-methyl-3H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide.

Molecular Properties

Compound Name7-chloro-4-ethyl-2-methyl-3H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide
PubChem CID44589261
Molecular FormulaC9H12ClN3O2S
Molecular Weight261.73 g/mol
Exact Mass261.03
IUPAC Name7-chloro-4-ethyl-2-methyl-3H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCCN1CN(C)S(=O)(=O)c2cc(Cl)cnc21
InChIInChI=1S/C9H12ClN3O2S/c1-3-13-6-12(2)16(14,15)8-4-7(10)5-11-9(8)13/h4-5H,3,6H2,1-2H3
InChIKeyCIYBAMYNTCEQQC-UHFFFAOYSA-N
XLogP1.15
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-ethyl-2-methyl-3H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide?
The IUPAC name of 7-chloro-4-ethyl-2-methyl-3H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide (CID 44589261) is 7-chloro-4-ethyl-2-methyl-3H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide.
What is the SMILES notation for 7-chloro-4-ethyl-2-methyl-3H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide?
The canonical SMILES for 7-chloro-4-ethyl-2-methyl-3H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide is CCN1CN(C)S(=O)(=O)c2cc(Cl)cnc21.
What is the InChIKey of 7-chloro-4-ethyl-2-methyl-3H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide?
The InChIKey is CIYBAMYNTCEQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2S/c1-3-13-6-12(2)16(14,15)8-4-7(10)5-11-9(8)13/h4-5H,3,6H2,1-2H3.
What are the key properties of 7-chloro-4-ethyl-2-methyl-3H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide?
7-chloro-4-ethyl-2-methyl-3H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide has a molecular weight of 261.73 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-ethyl-2-methyl-3H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide is sourced from PubChem (CID 44589261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).